Basic information
- CAS
13105-54-9- Standard SMILES
CCCCNC(=O)OCCO- InChIKey
CNTRRBGETIJCNM-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- 2-hydroxyethyl N-butylcarbamate
- IUPAC
- 2-hydroxyethyl N-butylcarbamate
- English name
- Carbamic acid,N-butyl-, 2-hydroxyethyl ester
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
13105-54-92-hydroxyethyl N-butylcarbamate2-hydroxyethyl butylcarbamateCarbamic acid,N-butyl-, 2-hydroxyethyl esterMFCD21858368CHEMBL369772NSC291702-hydroxyethylbutylcarbamateSCHEMBL46651592-Hydroxyethyl 1-ButylcarbamateDTXSID50927056BDBM50160655
Show more names
N-butyl carbamate-2-hydroxyethyl ester
NSC-29170AKOS0178989832-Hydroxyethyl hydrogen butylcarbonimidateAS-66095Butyl-carbamic acid 2-hydroxy-ethyl esterDS-007461D93331F844047
Database identifiers
- CAS
13105-54-9- PubChem CID
- 232124
- DTXSID
DTXSID50927056- ChEMBL
CHEMBL369772- Nikkaji
- J2.155.182A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 163 · 163-164 °C(Press: 12 Torr)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 12.55 · 12.55±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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